N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C15H18ClFN2S — CID 82805503

IUPACN-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(Cc2cccc(Cl)c2F)s1
InChIInChI=1S/C15H18ClFN2S/c1-15(2,3)19-9-11-8-18-13(20-11)7-10-5-4-6-12(16)14(10)17/h4-6,8,19H,7,9H2,1-3H3
InChIKeyRCVZSYLQYZFTRE-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.41
Rot. Bonds4

About N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 82805503) has the molecular formula C15H18ClFN2S and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID82805503
Molecular FormulaC15H18ClFN2S
Molecular Weight312.84 g/mol
Exact Mass312.09
IUPAC NameN-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(Cc2cccc(Cl)c2F)s1
InChIInChI=1S/C15H18ClFN2S/c1-15(2,3)19-9-11-8-18-13(20-11)7-10-5-4-6-12(16)14(10)17/h4-6,8,19H,7,9H2,1-3H3
InChIKeyRCVZSYLQYZFTRE-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82806898
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63023881
N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 62404630
2-methyl-N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62551604
N-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 66083649
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 54977606
N-[[3-(3-chloro-2-fluorophenyl)-1,2-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 82807472
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63023882
N-[[2-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363886
1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363616
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404978
1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62830361

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 82805503) is N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(Cc2cccc(Cl)c2F)s1.
What is the InChIKey of N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RCVZSYLQYZFTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2S/c1-15(2,3)19-9-11-8-18-13(20-11)7-10-5-4-6-12(16)14(10)17/h4-6,8,19H,7,9H2,1-3H3.
What are the key properties of N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 312.84 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82805503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).